SCHEMBL2902306

SCHEMBL2902306

CCOC(=O)CCc1nc2cc(OC)c(OC)c(OC)c2s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TNF P01375 9/20 0.43
KDM4E B2RXH2 1/20 0.43
STING1 Q86WV6 2/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB1 P08183 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2908422 0.78 SLC10A2 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2902383 0.77 TNKS2 (0.37) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL27518837 0.77 CA9 (0.33) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2905414 0.76 PDE4A (0.36) MEN1KMT2AMAPTKDM4ESTING1
SCHEMBL2902844 0.75 DRD2 (0.33) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL2908433 0.74 MAOB (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2908436 0.74 MAOB (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2905107 0.74 CA9 (0.35) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL22077613 0.72 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL491077 0.72 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1400510-B1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS KOWA CO (JP) 2010-08-18 EP disclosed
US-7135473-B2 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2006-11-14 US disclosed
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2004-03-25 US disclosed
EP-1400510-A1 CYCLIC DIAMINE COMPOUNDS HAVING FUSED-RING GROUPS Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6632810-B2 Such as N,N'-bis((5,6,7-trimethoxynaphthalen-2-yl)methyl) piperazine, which has inhibitory effects on cell adhesion, for treatment of allergy, asthma, rheumatism, arteriosclerosis, and inflammation KOWA CO., LTD. (JP) 2003-10-14 US disclosed
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups KOWA CO., LTD. (JP) 2003-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040058913-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885MEN1 1989/4885KMT2A 916/4885
US-20030060461-A1 Cyclic diamine compound with condensed-ring groups HRH4, HRH3, HRH1 ALDH1A1 468/4885MEN1 1989/4885KMT2A 916/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.